REMARK Name = LIG000103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.233 -1.681 -1.359 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.927 -0.899 -1.305 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.868 -1.118 -0.290 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.688 -2.091 0.678 0.00 0.00 +0.100 A ATOM 5 N LIG 1 2.613 -2.322 1.701 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 3.670 -1.658 1.748 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 3.951 -0.686 0.829 0.00 0.00 -0.198 N ATOM 8 C LIG 1 0.523 -2.862 0.629 0.00 0.00 +0.031 A ATOM 9 C LIG 1 3.091 -0.328 -0.194 0.00 0.00 +0.278 A ATOM 10 O LIG 1 3.299 0.582 -0.991 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 -0.430 -2.659 -0.375 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 5.212 0.025 1.027 0.00 0.00 +0.199 C ATOM 13 C LIG 1 6.132 -0.165 -0.183 0.00 0.00 +0.244 C ATOM 14 O LIG 1 6.136 -1.172 -0.890 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 7.062 0.829 -0.393 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.679 0.695 -1.183 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.279 1.958 0.356 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.194 2.731 0.087 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.394 2.148 1.565 0.00 0.00 +0.099 C ATOM 20 C LIG 1 5.031 1.506 1.361 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 21 ATOM 21 C LIG 1 -1.271 -1.449 -2.428 0.00 0.00 +0.141 C BRANCH 21 25 ATOM 22 N LIG 1 -4.184 0.108 -0.941 0.00 0.00 -0.299 N ATOM 23 H LIG 1 -4.122 0.903 -1.559 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 -3.418 -0.953 -1.362 0.00 0.00 +0.300 C ATOM 25 N LIG 1 -2.279 -0.512 -1.985 0.00 0.00 -0.295 N ATOM 26 H LIG 1 -1.950 0.389 -1.675 0.00 0.00 +0.151 HD ATOM 27 O LIG 1 -3.715 -2.128 -1.205 0.00 0.00 -0.253 OA BRANCH 22 28 ATOM 28 C LIG 1 -5.482 -0.146 -0.343 0.00 0.00 +0.108 C BRANCH 28 30 ATOM 29 C LIG 1 -6.457 2.175 -0.676 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -6.065 1.099 0.339 0.00 0.00 -0.000 C ATOM 31 C LIG 1 -7.285 0.712 1.178 0.00 0.00 +0.009 C ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 5